3-[(2,5-dimethylpyrazol-3-yl)methoxy]-5-methoxybenzonitrile

C14H15N3O2 — CID 103566808

IUPAC3-[(2,5-dimethylpyrazol-3-yl)methoxy]-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(OCc2cc(C)nn2C)c1
InChIInChI=1S/C14H15N3O2/c1-10-4-12(17(2)16-10)9-19-14-6-11(8-15)5-13(7-14)18-3/h4-7H,9H2,1-3H3
InChIKeyYADCLYMWMGPQNR-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.19
Rot. Bonds4

About 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-5-methoxybenzonitrile

3-[(2,5-dimethylpyrazol-3-yl)methoxy]-5-methoxybenzonitrile (PubChem CID 103566808) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-5-methoxybenzonitrile.

Molecular Properties

Compound Name3-[(2,5-dimethylpyrazol-3-yl)methoxy]-5-methoxybenzonitrile
PubChem CID103566808
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-[(2,5-dimethylpyrazol-3-yl)methoxy]-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(OCc2cc(C)nn2C)c1
InChIInChI=1S/C14H15N3O2/c1-10-4-12(17(2)16-10)9-19-14-6-11(8-15)5-13(7-14)18-3/h4-7H,9H2,1-3H3
InChIKeyYADCLYMWMGPQNR-UHFFFAOYSA-N
XLogP2.19
TPSA60.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-5-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzonitrile
CID 103566924
3-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-5-methoxybenzonitrile
CID 103566676
4-[(3,5-dimethoxyphenoxy)methyl]benzonitrile
CID 7707174
3-methoxy-5-[(5-methylfuran-2-yl)methoxy]benzonitrile
CID 103567082
(1S)-1-[2-[(2,5-dimethylpyrazol-3-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82002100
4-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methoxybenzonitrile
CID 104848599
3-[(3-cyano-5-methoxyphenoxy)methyl]-5-fluorobenzonitrile
CID 103566793
(NZ)-N-[1-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495504
3-methoxy-5-(2-methylpropoxy)benzonitrile
CID 103566832
3-(2-cyanoethoxy)-5-methoxybenzonitrile
CID 103566780
3-methoxy-5-prop-2-enoxybenzonitrile
CID 103566833
3-[(5-bromo-3-pyridinyl)methoxy]-5-methoxybenzonitrile
CID 103567139

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-5-methoxybenzonitrile?
The IUPAC name of 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-5-methoxybenzonitrile (CID 103566808) is 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-5-methoxybenzonitrile.
What is the SMILES notation for 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-5-methoxybenzonitrile?
The canonical SMILES for 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-5-methoxybenzonitrile is COc1cc(C#N)cc(OCc2cc(C)nn2C)c1.
What is the InChIKey of 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-5-methoxybenzonitrile?
The InChIKey is YADCLYMWMGPQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-4-12(17(2)16-10)9-19-14-6-11(8-15)5-13(7-14)18-3/h4-7H,9H2,1-3H3.
What are the key properties of 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-5-methoxybenzonitrile?
3-[(2,5-dimethylpyrazol-3-yl)methoxy]-5-methoxybenzonitrile has a molecular weight of 257.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-5-methoxybenzonitrile is sourced from PubChem (CID 103566808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).